2-(4-aminopiperidin-1-yl)acetic acid dihydrochloride

• ChemBase ID: 144164
• Molecular Formular: C7H16Cl2N2O2
• Molecular Mass: 231.12014
• Monoisotopic Mass: 230.05888312
• SMILES: C1CN(CCC1N)CC(=O)O.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC(=O)O.Cl.Cl
• InChI: InChI=1S/C7H14N2O2.2ClH/c8-6-1-3-9(4-2-6)5-7(10)11;;/h6H,1-5,8H2,(H,10,11);2*1H
• InChIKey: CAYADDNYDWMYBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)acetic acid dihydrochloride
• IUPAC Traditional name: (4-aminopiperidin-1-yl)acetic acid dihydrochloride
• Synonyms: (4-Amino-1-piperidinyl)acetic acid dihydrochloride

Database IDs

• MDL Number: MFCD13186272
• PubChem SID: 162238381
• PubChem CID: 53398811

CALCULATED PROPERTIES

• Acid pKa: 1.8802444
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -6.3876762
• LogD (pH = 7.4): -4.686544
• Log P: -3.598207
• Molar Refractivity: 41.4545 cm^3
• Polarizability: 16.48107 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H16Cl2N2O2

DETAILS

Sigma Aldrich - CBR00672

Other Notes
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